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https://github.com/triqs/dft_tools
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14 lines
344 B
Plaintext
14 lines
344 B
Plaintext
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SrVO3
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3.841
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1.0000000000000000 0.0000000000000000 0.0000000000000000
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0.0000000000000000 1.0000000000000000 0.0000000000000000
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0.0000000000000000 0.0000000000000000 1.0000000000000000
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Sr V O
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1 1 3
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Direct
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0.5 0.5 0.5
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0.0 0.0 0.0
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0.5 0.0 0.0
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0.0 0.5 0.0
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0.0 0.0 0.5
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